Geometry & MOs

Info

ID:	195001
PubChem CID:	78619360
Reduced:	SN6H18C20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	319.079076
ΔH_f, kcal/mol:	169.53
Dipole, Da:	4.95
IP(EA), eV:	-8.55(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C=C2C=NN3C=NNC3=S)CC4=CC=CC=C4

DOS

IR

Vibrations